iterations/neb0_image03_iter4_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.365036347312E+03 0.36504E+03 -0.14263E+04 624 0.799E+02
DAV: 2 0.487771526729E+01 -0.36016E+03 -0.34763E+03 842 0.194E+02
DAV: 3 -0.937844668435E+02 -0.98662E+02 -0.98261E+02 688 0.116E+02
DAV: 4 -0.981884198237E+02 -0.44040E+01 -0.43907E+01 720 0.273E+01
DAV: 5 -0.982817242609E+02 -0.93304E-01 -0.93263E-01 728 0.348E+00 0.221E+01
DAV: 6 -0.895537001268E+02 0.87280E+01 -0.31641E+01 709 0.300E+01 0.114E+01
DAV: 7 -0.887420483447E+02 0.81165E+00 -0.17109E+00 720 0.660E+00 0.483E+00
DAV: 8 -0.883596669220E+02 0.38238E+00 -0.64207E-01 704 0.448E+00 0.165E+00
DAV: 9 -0.882805890394E+02 0.79078E-01 -0.12919E-01 720 0.166E+00 0.457E-01
DAV: 10 -0.882734231466E+02 0.71659E-02 -0.35551E-02 712 0.975E-01 0.304E-01
DAV: 11 -0.882763301540E+02 -0.29070E-02 -0.76620E-03 669 0.548E-01 0.121E-01
DAV: 12 -0.882789187145E+02 -0.25886E-02 -0.30308E-03 632 0.278E-01 0.105E-01
DAV: 13 -0.882832570103E+02 -0.43383E-02 -0.21265E-03 756 0.310E-01 0.754E-02
DAV: 14 -0.882863196471E+02 -0.30626E-02 -0.93528E-04 666 0.146E-01 0.423E-02
DAV: 15 -0.882885116517E+02 -0.21920E-02 -0.51000E-04 714 0.127E-01 0.315E-02
DAV: 16 -0.882893517279E+02 -0.84008E-03 -0.12324E-04 952 0.861E-02 0.165E-02
DAV: 17 -0.882901500182E+02 -0.79829E-03 -0.11169E-04 666 0.586E-02 0.122E-02
DAV: 18 -0.882905647299E+02 -0.41471E-03 -0.52429E-05 594 0.361E-02 0.967E-03
DAV: 19 -0.882907023161E+02 -0.13759E-03 -0.16444E-05 480 0.267E-02 0.430E-03
DAV: 20 -0.882908081806E+02 -0.10586E-03 -0.27874E-05 532 0.243E-02 0.765E-03
DAV: 21 -0.882908213072E+02 -0.13127E-04 -0.36528E-06 512 0.167E-02 0.311E-03
DAV: 22 -0.882908331557E+02 -0.11849E-04 -0.61004E-06 409 0.138E-02 0.201E-03
DAV: 23 -0.882908391559E+02 -0.60002E-05 -0.89068E-07 488 0.530E-03
1 F= -.88290839E+02 E0= -.88294705E+02 d E =0.115963E-01